Hi, when opening the log of GAMESS results in AVOGADRO I see that the energy of the orbitals (HOMO, LUMO) given in eV are completely wrong, e.g. HOMO (Benzene) is given as - 179.922 eV - a most acceptable data is about - 7 eV. What is wrong, what I am doing wrong ?
Thanks and best regards, Andre Persoons ------------------------------------------------------------------------------ What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic patterns at an interface-level. Reveals which users, apps, and protocols are consuming the most bandwidth. Provides multi-vendor support for NetFlow, J-Flow, sFlow and other flows. Make informed decisions using capacity planning reports.http://sdm.link/zohodev2dev _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
